4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide

Systemtic Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide Openeye Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide CAS Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)-2-thiophenecarboxamide IUPAC Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitrophenyl)thiophene-2-carboxamide Traditional Name: 4-[(3,5-dimethylphenoxy)methyl]-N-(4-methyl-2-nitro-phenyl)thiophene-2-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)COC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CS2)COC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O4S/c1-13-4-5-18(19(9-13)23(25)26)22-21(24)20-10-16(12-28-20)11-27-17-7-14(2)6-15(3)8-17/h4-10,12H,11H2,1-3H3,(H,22,24)